SCHEMBL452074

SCHEMBL452074

CC(=O)NC1CCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.60
MCHR1 Q99705 7/20 0.55
UTS2R Q9UKP6 1/20 0.55
CCR3 P51677 6/20 0.55
MC4R P32245 1/20 0.51
HTR2A P28223 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL447896 1.00 LTA4H (0.60) LTA4HMCHR1UTS2RCCR3MC4R
SCHEMBL450211 1.00 LTA4H (0.60) LTA4HMCHR1UTS2RCCR3MC4R
SCHEMBL448655 0.88 MCHR1 (0.48) LTA4HMCHR1UTS2RCCR3SIGMAR1
SCHEMBL451855 0.83 CCR3 (0.48) LTA4HMCHR1UTS2RCCR3
SCHEMBL451101 0.83 LTA4H (0.55) LTA4HMCHR1
SCHEMBL454069 0.83 LTA4H (0.55) LTA4HMCHR1
SCHEMBL5175385 0.81 MCHR1 (0.77) LTA4HMCHR1UTS2RHTR2ASIGMAR1
SCHEMBL449244 0.81 S1PR5 (0.46) UTS2R
Hydrochloric Acid SCHEMBL948223 0.81 S1PR5 (0.61) LTA4HMCHR1SIGMAR1
SCHEMBL452921 0.81 LTA4H (0.56) LTA4HHTR2ASIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA LTA4H 424/4885MCHR1 335/4885UTS2R 497/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 LTA4H 462/4885MCHR1 286/4885UTS2R 416/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.